(4-methylsulfanylphenyl)-phenylmethanol

C14H14OS — CID 2760079

IUPAC(4-methylsulfanylphenyl)-phenylmethanol
SMILESCSc1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C14H14OS/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14-15H,1H3
InChIKeyRROPBGMZDNWBMK-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.49
Rot. Bonds3

About (4-methylsulfanylphenyl)-phenylmethanol

(4-methylsulfanylphenyl)-phenylmethanol (PubChem CID 2760079) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-phenylmethanol.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-phenylmethanol
PubChem CID2760079
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name(4-methylsulfanylphenyl)-phenylmethanol
SMILESCSc1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C14H14OS/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14-15H,1H3
InChIKeyRROPBGMZDNWBMK-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-phenylmethanol?
The IUPAC name of (4-methylsulfanylphenyl)-phenylmethanol (CID 2760079) is (4-methylsulfanylphenyl)-phenylmethanol.
What is the SMILES notation for (4-methylsulfanylphenyl)-phenylmethanol?
The canonical SMILES for (4-methylsulfanylphenyl)-phenylmethanol is CSc1ccc(C(O)c2ccccc2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-phenylmethanol?
The InChIKey is RROPBGMZDNWBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14-15H,1H3.
What are the key properties of (4-methylsulfanylphenyl)-phenylmethanol?
(4-methylsulfanylphenyl)-phenylmethanol has a molecular weight of 230.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-phenylmethanol is sourced from PubChem (CID 2760079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).